(6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one

C27H23F2N5O3S — CID 167217435

About (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one

(6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one (PubChem CID 167217435) has the molecular formula C27H23F2N5O3S and a molecular weight of 535.58 g/mol. Its IUPAC name is (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one.

Molecular Properties

• Compound Name: (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one
• PubChem CID: 167217435
• Molecular Formula: C27H23F2N5O3S
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.15
• IUPAC Name: (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one
• SMILES: Cc1noc(C)c1-c1ccn2c(-c3ncc(CO)s3)c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc2c1
• InChI: InChI=1S/C27H23F2N5O3S/c1-14-24(15(2)37-32-14)16-8-9-33-22(10-16)31-25(26(33)27-30-12-18(13-35)38-27)21-4-3-5-23(36)34(21)17-6-7-19(28)20(29)11-17/h6-12,21,35H,3-5,13H2,1-2H3/t21-/m0/s1
• InChIKey: WGBPZRVCLPGESC-NRFANRHFSA-N
• XLogP: 5.76
• TPSA: 96.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one?

The IUPAC name of (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one (CID 167217435) is (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one.

What is the SMILES notation for (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one?

The canonical SMILES for (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one is Cc1noc(C)c1-c1ccn2c(-c3ncc(CO)s3)c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc2c1.

What is the InChIKey of (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one?

The InChIKey is WGBPZRVCLPGESC-NRFANRHFSA-N. The full InChI is InChI=1S/C27H23F2N5O3S/c1-14-24(15(2)37-32-14)16-8-9-33-22(10-16)31-25(26(33)27-30-12-18(13-35)38-27)21-4-3-5-23(36)34(21)17-6-7-19(28)20(29)11-17/h6-12,21,35H,3-5,13H2,1-2H3/t21-/m0/s1.

What are the key properties of (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one?

(6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one has a molecular weight of 535.58 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-1-(3,4-difluorophenyl)-6-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(hydroxymethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]piperidin-2-one is sourced from PubChem (CID 167217435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).